Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H27N6O7 |
| Molecular Weight | 559.55 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
CC1=CC(\C=C\C#N)=CC(C)=C1NC2=NC(NC3=CC=C(C=C3)C#N)=[N+](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2
InChI
InChIKey=XMHLXDOUGDROTJ-ZJLTYCLESA-O
InChI=1S/C28H26N6O7/c1-15-12-18(4-3-10-29)13-16(2)21(15)32-20-9-11-34(28(33-20)31-19-7-5-17(14-30)6-8-19)41-27-24(37)22(35)23(36)25(40-27)26(38)39/h3-9,11-13,22-25,27,35-37H,1-2H3,(H2,31,32,33,38,39)/p+1/b4-3+/t22-,23-,24+,25-,27-/m0/s1
| Molecular Formula | C28H27N6O7 |
| Molecular Weight | 559.55 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:55:02 GMT 2023
by
admin
on
Sat Dec 16 14:55:02 GMT 2023
|
| Record UNII |
B3FBF4C3FH
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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B3FBF4C3FH
Created by
admin on Sat Dec 16 14:55:02 GMT 2023 , Edited by admin on Sat Dec 16 14:55:02 GMT 2023
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PRIMARY | |||
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156596703
Created by
admin on Sat Dec 16 14:55:02 GMT 2023 , Edited by admin on Sat Dec 16 14:55:02 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
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